IsotopeDistributionCache.h

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// $Maintainer: Lars Nilse $
// $Authors: Steffen Sass, Holger Plattfaut, Bastian Blank $
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#ifndef OPENMS_FILTERING_DATAREDUCTION_ISOTOPEDISTRIBUTIONCACHE_H
#define OPENMS_FILTERING_DATAREDUCTION_ISOTOPEDISTRIBUTIONCACHE_H

#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmPickedHelperStructs.h>

namespace OpenMS
{
  class OPENMS_DLLAPI IsotopeDistributionCache
  {
public:
    typedef FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern TheoreticalIsotopePattern;

    IsotopeDistributionCache(DoubleReal max_mass, DoubleReal mass_window_width, DoubleReal intensity_percentage = 0, DoubleReal intensity_percentage_optional = 0);

    const TheoreticalIsotopePattern & getIsotopeDistribution(DoubleReal mass) const;

private:
    std::vector<TheoreticalIsotopePattern> isotope_distributions_;

    DoubleReal mass_window_width_;
  };
}

#endif